5-[(3-bromanyl-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-bromanyl-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-4-hydroxy-phenyl)methylene]-2-thioxo-1-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-4-hydroxy-benzylidene)-2-thioxo-1-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-4,6-quinone Formula: C20H17BrN2O6S MolecularWeight: 493.32778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CC3=CC(=C(C=C3)O)Br)C(=O)NC2=S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CC3=CC(=C(C=C3)O)Br)C(=O)NC2=S

InChI

InChI=1S/C20H17BrN2O6S/c1-27-15-8-11(9-16(28-2)17(15)29-3)23-19(26)12(18(25)22-20(23)30)6-10-4-5-14(24)13(21)7-10/h4-9,24H,1-3H3,(H,22,25,30)